Information card for entry 2013461

Structure parameters

• Chemical name: Potassium N-(6-amino-3,4-dihydro-3-methyl-5-nitroso- 4-oxopyrimidin-2-yl)-(S)-aspartate N-(6-amino-3,4-dihydro-3-methyl- 5-nitroso-4-oxopyrimidin-2-yl)-(S)-aspartic acid 4.88(hydrate)
• Formula: C18 H30.76 K N10 O16.88
• Calculated formula: C18 H30.532 K N10 O16.883
• Title of publication: Potassium <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(<i>S</i>)-aspartate <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(<i>S</i>)-aspartic acid 4.88-hydrate: a two-dimensional coordination polymer
• Authors of publication: Cuesta, Rafael; Glidewell, Christopher; López, Rafael; Low, John N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m315 - m318
• a: 7.4986 ± 0.0001 Å
• b: 13.0997 ± 0.0002 Å
• c: 29.5866 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2906.27 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes